5JYY

Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses

Replaces:  5E6L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	I 4 3 2
Unit cell lengths	180.079, 180.079, 180.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.316 - 2.100
R-factor	0.1518
Rwork	0.151
R-free	0.17150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nn9
RMSD bond length	0.006
RMSD bond angle	1.034
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge		0.761
Number of reflections	29294
<I/σ(I)>	21.7	3.54
Completeness [%]	100.0	100
Redundancy	12	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	0.1 M HEPES, 5%(v/v) 2-methyl-2,4-pentanediol, 10%(v/v) PEG 10000